2-Amino-N,3,3-Trimethylbutanamide → tert-butyl 3-bromo-1-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

HRID 168087

반응식

HRID 168087 반응식
[Br:38][c:39]1[n:40][c:41]([C:55](=[O:56])[OH:57])[c:42]2[n:43]1[CH2:44][CH2:45][N:46]([C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[CH2:47]2.[CH3:1][C:2]([CH3:3])([CH3:4])[CH:5]([NH:6][C:7]([c:8]1[n:9][c:10](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:17]2[c:22]1[CH2:21][NH:20][CH2:19][CH2:18]2)=[O:23])[C:24]([NH:25][CH3:26])=[O:27].[CH3:28][NH:29][C:30]([CH:31]([NH2:32])[C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37]>>[CH3:28][NH:29][C:30]([CH:31]([NH:32][C:55]([c:41]1[n:40][c:39]([Br:38])[n:43]2[c:42]1[CH2:47][N:46]([C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[CH2:45][CH2:44]2)=[O:56])[C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37]

참가 물질

4

반응물 3

HCID 34964452-Amino-N,3,3-TrimethylbutanamideHCID 576354283-bromo-7-[(tert-butoxy)carbonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylic acidHCID 66931907N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

생성물 1

HCID 66931809tert-butyl 3-bromo-1-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

출처 및 근거

ORD 기록
ord-e424733b25e9476a84dba90d199837f7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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